Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9640 | 0.80 | — | — | |
| SCHEMBL9307317 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3021324 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL11668503 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5739091 | 0.77 | — | — | |
| Pivalamide SCHEMBL1925697 | 0.74 | ALDH1A1 (0.39) | ALDH1A1ALOX15 | |
| Trifluoroacetamide SCHEMBL19029680 | 0.73 | ALDH1A1 (0.38) | ALDH1A1ALOX15 | |
| Acetic Acid SCHEMBL31295652 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CHRNB2CHRNB4CHRNA4TSHR | |
| SCHEMBL10437648 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CHRNB2CHRNB4CHRNA4TSHR | |
| SCHEMBL44759 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2181985-A1 | Antiviral Agent | SHIONOGI & CO., LTD. (JP) | 2010-05-05 | — | — | EP | disclosed |